ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate

C15H29N3O3 — CID 75282012

IUPACethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate
SMILESCCOC(=O)C(CC1CCCN1)NC(=O)C(N)C(C)CC
InChIInChI=1S/C15H29N3O3/c1-4-10(3)13(16)14(19)18-12(15(20)21-5-2)9-11-7-6-8-17-11/h10-13,17H,4-9,16H2,1-3H3,(H,18,19)
InChIKeyRPYTVKPACYWPNM-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.55
Rot. Bonds8

About ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate

ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate (PubChem CID 75282012) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate
PubChem CID75282012
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nameethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate
SMILESCCOC(=O)C(CC1CCCN1)NC(=O)C(N)C(C)CC
InChIInChI=1S/C15H29N3O3/c1-4-10(3)13(16)14(19)18-12(15(20)21-5-2)9-11-7-6-8-17-11/h10-13,17H,4-9,16H2,1-3H3,(H,18,19)
InChIKeyRPYTVKPACYWPNM-UHFFFAOYSA-N
XLogP0.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate?
The IUPAC name of ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate (CID 75282012) is ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate?
The canonical SMILES for ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate is CCOC(=O)C(CC1CCCN1)NC(=O)C(N)C(C)CC.
What is the InChIKey of ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate?
The InChIKey is RPYTVKPACYWPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-10(3)13(16)14(19)18-12(15(20)21-5-2)9-11-7-6-8-17-11/h10-13,17H,4-9,16H2,1-3H3,(H,18,19).
What are the key properties of ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate?
ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate has a molecular weight of 299.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-3-methylpentanoyl)amino]-3-pyrrolidin-2-ylpropanoate is sourced from PubChem (CID 75282012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).