(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid

C10H19N5O3 — CID 168698982

IUPAC(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)N1CC(N)CC1=O
InChIInChI=1S/C10H19N5O3/c11-6-4-8(16)15(5-6)10(13)14-3-1-2-7(12)9(17)18/h6-7H,1-5,11-12H2,(H2,13,14)(H,17,18)/t6?,7-/m0/s1
InChIKeyWETHTPXPCCXJFL-MLWJPKLSSA-N
MW257.29 g/mol
LogP-1.95
Rot. Bonds5

About (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid

(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid (PubChem CID 168698982) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid
PubChem CID168698982
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)N1CC(N)CC1=O
InChIInChI=1S/C10H19N5O3/c11-6-4-8(16)15(5-6)10(13)14-3-1-2-7(12)9(17)18/h6-7H,1-5,11-12H2,(H2,13,14)(H,17,18)/t6?,7-/m0/s1
InChIKeyWETHTPXPCCXJFL-MLWJPKLSSA-N
XLogP-1.95
TPSA148.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid (CID 168698982) is (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid is N/C(=N\CCC[C@H](N)C(=O)O)N1CC(N)CC1=O.
What is the InChIKey of (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid?
The InChIKey is WETHTPXPCCXJFL-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H19N5O3/c11-6-4-8(16)15(5-6)10(13)14-3-1-2-7(12)9(17)18/h6-7H,1-5,11-12H2,(H2,13,14)(H,17,18)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 168698982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).