(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide

C13H28N4O2 — CID 178156190

IUPAC(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
SMILESCC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CCCCN
InChIInChI=1S/C13H28N4O2/c1-10(18)12(7-3-5-9-15)17-13(19)11(16)6-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyWVEADDKLGNBJLB-VXGBXAGGSA-N
MW272.39 g/mol
LogP-0.35
Rot. Bonds11

About (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide

(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide (PubChem CID 178156190) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
PubChem CID178156190
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
SMILESCC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CCCCN
InChIInChI=1S/C13H28N4O2/c1-10(18)12(7-3-5-9-15)17-13(19)11(16)6-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyWVEADDKLGNBJLB-VXGBXAGGSA-N
XLogP-0.35
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
CID 161482186
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 125032952
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
(2S)-2,6-diamino-N-[(3S)-2-methyl-4-oxopentan-3-yl]hexanamide
CID 87068756
(2S)-2,6-diamino-N-[(5S)-6-[[(5S)-6-[[(5S)-6-[5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentylamino]-5-[[(2S)-6-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]-6-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-diaminohexanoyl]amino]-6-oxohexyl]hexanamide
CID 88869320
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10329066
acetic acid;(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoic acid
CID 56845970
(4S)-4-amino-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 11000252
2-(2,6-diaminohexanoylamino)-4-methylpentanoic acid
CID 4682588
6-amino-2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]hexanoic acid
CID 18411377
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
CID 18308557

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide?
The IUPAC name of (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide (CID 178156190) is (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide is CC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CCCCN.
What is the InChIKey of (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide?
The InChIKey is WVEADDKLGNBJLB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-10(18)12(7-3-5-9-15)17-13(19)11(16)6-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide?
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide has a molecular weight of 272.39 g/mol, XLogP of -0.35, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide is sourced from PubChem (CID 178156190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).