2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid

C15H26N4O5 — CID 70445810

IUPAC2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid
SMILESCC(C)CC(N)C(=O)N(C(=O)CN)C(C(=O)O)C(=O)C1CCCN1
InChIInChI=1S/C15H26N4O5/c1-8(2)6-9(17)14(22)19(11(20)7-16)12(15(23)24)13(21)10-4-3-5-18-10/h8-10,12,18H,3-7,16-17H2,1-2H3,(H,23,24)
InChIKeyOSWQSOBIMNVZRQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP-1.55
Rot. Bonds8

About 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid

2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid (PubChem CID 70445810) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid
PubChem CID70445810
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid
SMILESCC(C)CC(N)C(=O)N(C(=O)CN)C(C(=O)O)C(=O)C1CCCN1
InChIInChI=1S/C15H26N4O5/c1-8(2)6-9(17)14(22)19(11(20)7-16)12(15(23)24)13(21)10-4-3-5-18-10/h8-10,12,18H,3-7,16-17H2,1-2H3,(H,23,24)
InChIKeyOSWQSOBIMNVZRQ-UHFFFAOYSA-N
XLogP-1.55
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 70411878
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
4-amino-2-[bis(2-aminoacetyl)amino]-6-methyl-3-oxoheptanoic acid
CID 88756231
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174461355
tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70541638

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid (CID 70445810) is 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid is CC(C)CC(N)C(=O)N(C(=O)CN)C(C(=O)O)C(=O)C1CCCN1.
What is the InChIKey of 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid?
The InChIKey is OSWQSOBIMNVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-8(2)6-9(17)14(22)19(11(20)7-16)12(15(23)24)13(21)10-4-3-5-18-10/h8-10,12,18H,3-7,16-17H2,1-2H3,(H,23,24).
What are the key properties of 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid?
2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid has a molecular weight of 342.40 g/mol, XLogP of -1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid is sourced from PubChem (CID 70445810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).