(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid

C10H18N4O2 — CID 44570132

IUPAC(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)N1CC=CC1
InChIInChI=1S/C10H18N4O2/c11-8(9(15)16)4-3-5-13-10(12)14-6-1-2-7-14/h1-2,8H,3-7,11H2,(H2,12,13)(H,15,16)/t8-/m0/s1
InChIKeyVFLIRWVIVSORKC-QMMMGPOBSA-N
MW226.28 g/mol
LogP-0.63
Rot. Bonds5

About (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid

(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid (PubChem CID 44570132) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid
PubChem CID44570132
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)N1CC=CC1
InChIInChI=1S/C10H18N4O2/c11-8(9(15)16)4-3-5-13-10(12)14-6-1-2-7-14/h1-2,8H,3-7,11H2,(H2,12,13)(H,15,16)/t8-/m0/s1
InChIKeyVFLIRWVIVSORKC-QMMMGPOBSA-N
XLogP-0.63
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid
CID 168698982
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(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
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid (CID 44570132) is (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid is N/C(=N\CCC[C@H](N)C(=O)O)N1CC=CC1.
What is the InChIKey of (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid?
The InChIKey is VFLIRWVIVSORKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-8(9(15)16)4-3-5-13-10(12)14-6-1-2-7-14/h1-2,8H,3-7,11H2,(H2,12,13)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid has a molecular weight of 226.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 44570132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).