(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C14H24N6O4 — CID 5287874

IUPAC(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESNCCCC[C@H](C(=O)O)N(CCN)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1
InChIKeyVSVRCXCSVDYVFE-SNVBAGLBSA-N
MW340.38 g/mol
LogP-1.80
Rot. Bonds10

About (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 5287874) has the molecular formula C14H24N6O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID5287874
Molecular FormulaC14H24N6O4
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESNCCCC[C@H](C(=O)O)N(CCN)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1
InChIKeyVSVRCXCSVDYVFE-SNVBAGLBSA-N
XLogP-1.80
TPSA170.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium
CID 4627781
6-amino-2-(N-formylanilino)hexanoic acid
CID 90921311
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918
(2S)-4-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 101202248
(2S,3R)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxybutanoic acid
CID 101005574
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one
CID 21446833
4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one
CID 70453776
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2R)-6-amino-2-[2-aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]hexanamide;bis(2,2,2-trifluoroacetic acid)
CID 25034631
benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate
CID 71201669

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 5287874) is (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is NCCCC[C@H](C(=O)O)N(CCN)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is VSVRCXCSVDYVFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1.
What are the key properties of (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 340.38 g/mol, XLogP of -1.80, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 5287874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).