(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid

C14H25N5O5 — CID 175845364

About (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid

(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid (PubChem CID 175845364) has the molecular formula C14H25N5O5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
• PubChem CID: 175845364
• Molecular Formula: C14H25N5O5
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.19
• IUPAC Name: (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
• SMILES: C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O
• InChI: InChI=1S/C14H25N5O5/c1-8(18-12(21)9-4-2-6-16-9)11(20)19-10(13(22)23)5-3-7-17-14(15)24/h8-10,16H,2-7H2,1H3,(H,18,21)(H,19,20)(H,22,23)(H3,15,17,24)/t8-,9-,10-/m0/s1
• InChIKey: FGAJPBFDCUABFH-GUBZILKMSA-N
• XLogP: -1.74
• TPSA: 162.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	-1.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid?

The IUPAC name of (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid (CID 175845364) is (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid.

What is the SMILES notation for (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid?

The canonical SMILES for (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid is C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O.

What is the InChIKey of (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid?

The InChIKey is FGAJPBFDCUABFH-GUBZILKMSA-N. The full InChI is InChI=1S/C14H25N5O5/c1-8(18-12(21)9-4-2-6-16-9)11(20)19-10(13(22)23)5-3-7-17-14(15)24/h8-10,16H,2-7H2,1H3,(H,18,21)(H,19,20)(H,22,23)(H3,15,17,24)/t8-,9-,10-/m0/s1.

What are the key properties of (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid?

(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid has a molecular weight of 343.38 g/mol, XLogP of -1.74, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid is sourced from PubChem (CID 175845364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).