(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione

C10H18N6O4 — CID 158107411

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N4O2.C4H4N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;7-3-1-2-5-4(8)6-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H,(H2,5,6,7,8)/t4-;/m0./s1
InChIKeyFPZXIPCGCUCWKH-WCCKRBBISA-N
MW286.29 g/mol
LogP-2.48
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione (PubChem CID 158107411) has the molecular formula C10H18N6O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione
PubChem CID158107411
Molecular FormulaC10H18N6O4
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N4O2.C4H4N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;7-3-1-2-5-4(8)6-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H,(H2,5,6,7,8)/t4-;/m0./s1
InChIKeyFPZXIPCGCUCWKH-WCCKRBBISA-N
XLogP-2.48
TPSA193.44 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
CID 280770
2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
CID 135441529
(2S)-2-amino-5-(2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 642655
2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
CID 21252811
2-Amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid
CID 22326313
L-Arginine Orotate
CID 42630666
5-(diaminomethylideneamino)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pentanoic acid
CID 42641668
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68554717
(2S)-2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
CID 70255478
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;5-methyl-1H-pyrimidine-2,4-dione
CID 159752510
(2R)-2-[2-aminoethyl-[2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 171442578
2-Amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine
CID 174863459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione (CID 158107411) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione is NC(N)=NCCC[C@H](N)C(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione?
The InChIKey is FPZXIPCGCUCWKH-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C4H4N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;7-3-1-2-5-4(8)6-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H,(H2,5,6,7,8)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione has a molecular weight of 286.29 g/mol, XLogP of -2.48, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 158107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).