(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide

C14H26N4O4 — CID 173333706

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)NCCCCCC=O)C(N)=O
InChIInChI=1S/C14H26N4O4/c1-10(15)14(22)18-11(13(16)21)6-7-12(20)17-8-4-2-3-5-9-19/h9-11H,2-8,15H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t10-,11+/m0/s1
InChIKeyLWPFJAIOMUULDK-WDEREUQCSA-N
MW314.39 g/mol
LogP-1.04
Rot. Bonds12

About (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide

(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide (PubChem CID 173333706) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
PubChem CID173333706
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)NCCCCCC=O)C(N)=O
InChIInChI=1S/C14H26N4O4/c1-10(15)14(22)18-11(13(16)21)6-7-12(20)17-8-4-2-3-5-9-19/h9-11H,2-8,15H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t10-,11+/m0/s1
InChIKeyLWPFJAIOMUULDK-WDEREUQCSA-N
XLogP-1.04
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
CID 173443479
(2S)-2-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N'-[2-(methylamino)ethyl]pentanediamide
CID 59839930
2-amino-4-[[5-[[5-amino-4-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-6-(1-carboxyethylamino)-6-oxohexyl]amino]-4-oxobutanoic acid
CID 168510988
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
2-[[2-[[2-[2-[[6-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-2-[[5-amino-4-(2-aminopropanoylamino)-5-oxopentanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 168510875
12-[12-(2,6-diaminohexanoylamino)dodecanoylamino]-N-(1,6-diamino-1-oxohexan-2-yl)dodecanamide
CID 25143771
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
14-oxo-N-pentadecyltetradecanamide
CID 90756507
N-(9-aminononyl)-9-oxononanamide
CID 174335255
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
2-amino-5-oxo-5-(4-oxobutylamino)pentanoate
CID 165361804
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide (CID 173333706) is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide is C[C@H](N)C(=O)N[C@H](CCC(=O)NCCCCCC=O)C(N)=O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide?
The InChIKey is LWPFJAIOMUULDK-WDEREUQCSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-10(15)14(22)18-11(13(16)21)6-7-12(20)17-8-4-2-3-5-9-19/h9-11H,2-8,15H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide?
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide has a molecular weight of 314.39 g/mol, XLogP of -1.04, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide is sourced from PubChem (CID 173333706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).