2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid

C15H24N4O5 — CID 23208419

IUPAC2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
SMILESNC(=O)NCCCC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H13N3O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(10)11)2-1-3-9-6(8)12/h1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKeyBEAZHIRKGOROPE-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.51
Rot. Bonds8

About 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid

2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid (PubChem CID 23208419) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
PubChem CID23208419
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
SMILESNC(=O)NCCCC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H13N3O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(10)11)2-1-3-9-6(8)12/h1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKeyBEAZHIRKGOROPE-UHFFFAOYSA-N
XLogP-0.51
TPSA181.76 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-benzyl-8-(carbamoylamino)-4-oxooctanoic acid
CID 146157203
(2S)-2-amino-3-[4-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxyphenyl]propanoic acid
CID 173499927
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide
CID 141443223
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid?
The IUPAC name of 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid (CID 23208419) is 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid is NC(=O)NCCCC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid?
The InChIKey is BEAZHIRKGOROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C6H13N3O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(10)11)2-1-3-9-6(8)12/h1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,10,11)(H3,8,9,12).
What are the key properties of 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid?
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid has a molecular weight of 340.38 g/mol, XLogP of -0.51, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 23208419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).