(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C16H27N5O6 — CID 141496610

IUPAC(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C16H27N5O6/c17-10(3-1-5-19-16(18)27)13(23)20-6-2-4-11(20)14(24)21-8-9(22)7-12(21)15(25)26/h9-12,22H,1-8,17H2,(H,25,26)(H3,18,19,27)/t9-,10+,11+,12+/m1/s1
InChIKeyDNXGMTWXQLMIMK-RHYQMDGZSA-N
MW385.42 g/mol
LogP-2.20
Rot. Bonds7

About (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 141496610) has the molecular formula C16H27N5O6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID141496610
Molecular FormulaC16H27N5O6
Molecular Weight385.42 g/mol
Exact Mass385.20
IUPAC Name(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C16H27N5O6/c17-10(3-1-5-19-16(18)27)13(23)20-6-2-4-11(20)14(24)21-8-9(22)7-12(21)15(25)26/h9-12,22H,1-8,17H2,(H,25,26)(H3,18,19,27)/t9-,10+,11+,12+/m1/s1
InChIKeyDNXGMTWXQLMIMK-RHYQMDGZSA-N
XLogP-2.20
TPSA179.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 141496610) is (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is NC(=O)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is DNXGMTWXQLMIMK-RHYQMDGZSA-N. The full InChI is InChI=1S/C16H27N5O6/c17-10(3-1-5-19-16(18)27)13(23)20-6-2-4-11(20)14(24)21-8-9(22)7-12(21)15(25)26/h9-12,22H,1-8,17H2,(H,25,26)(H3,18,19,27)/t9-,10+,11+,12+/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of -2.20, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141496610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).