ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate

C14H23N3O4 — CID 143815717

IUPACethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate
SMILESC=CCC(NC(=O)C1CCCN1C(=O)CN)C(=O)OCC
InChIInChI=1S/C14H23N3O4/c1-3-6-10(14(20)21-4-2)16-13(19)11-7-5-8-17(11)12(18)9-15/h3,10-11H,1,4-9,15H2,2H3,(H,16,19)
InChIKeyLKWXZHZCXFQOMT-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.44
Rot. Bonds7

About ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate

ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate (PubChem CID 143815717) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate
PubChem CID143815717
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate
SMILESC=CCC(NC(=O)C1CCCN1C(=O)CN)C(=O)OCC
InChIInChI=1S/C14H23N3O4/c1-3-6-10(14(20)21-4-2)16-13(19)11-7-5-8-17(11)12(18)9-15/h3,10-11H,1,4-9,15H2,2H3,(H,16,19)
InChIKeyLKWXZHZCXFQOMT-UHFFFAOYSA-N
XLogP-0.44
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl N-[2-[2-[(1-amino-1-oxopent-4-en-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 123961886
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-butylpentanedioic acid
CID 67061894
2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18221121
1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18490318
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18490553
1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18490552
2-[[1-[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18490528
1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 70338404
N-[1-(cyclopropylsulfanylamino)-1-oxopent-4-en-2-yl]-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide
CID 143403801
2-[[4-amino-2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
CID 18490293
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18490439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The IUPAC name of ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate (CID 143815717) is ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate.
What is the SMILES notation for ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The canonical SMILES for ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate is C=CCC(NC(=O)C1CCCN1C(=O)CN)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The InChIKey is LKWXZHZCXFQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-6-10(14(20)21-4-2)16-13(19)11-7-5-8-17(11)12(18)9-15/h3,10-11H,1,4-9,15H2,2H3,(H,16,19).
What are the key properties of ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate?
ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate has a molecular weight of 297.36 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate is sourced from PubChem (CID 143815717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).