(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one

C10H21N5O3 — CID 70013185

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=C1CCCN1
InChIInChI=1S/C6H14N4O2.C4H7NO/c7-4(5(11)12)2-1-3-10-6(8)9;6-4-2-1-3-5-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H,5,6)/t4-;/m0./s1
InChIKeyURDCSGIJHAGUTA-WCCKRBBISA-N
MW259.31 g/mol
LogP-1.65
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one (PubChem CID 70013185) has the molecular formula C10H21N5O3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one
PubChem CID70013185
Molecular FormulaC10H21N5O3
Molecular Weight259.31 g/mol
Exact Mass259.16
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=C1CCCN1
InChIInChI=1S/C6H14N4O2.C4H7NO/c7-4(5(11)12)2-1-3-10-6(8)9;6-4-2-1-3-5-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H,5,6)/t4-;/m0./s1
InChIKeyURDCSGIJHAGUTA-WCCKRBBISA-N
XLogP-1.65
TPSA156.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
azepan-2-one;2,6-diaminohexanoic acid
CID 22134500
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one (CID 70013185) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one is NC(N)=NCCC[C@H](N)C(=O)O.O=C1CCCN1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one?
The InChIKey is URDCSGIJHAGUTA-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C4H7NO/c7-4(5(11)12)2-1-3-10-6(8)9;6-4-2-1-3-5-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H,5,6)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of -1.65, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one is sourced from PubChem (CID 70013185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).