(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide

C17H30N4O3 — CID 11151918

IUPAC(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C17H30N4O3/c1-10(2)14(20-15(22)11(3)18)17(24)21-8-4-5-13(21)16(23)19-9-12-6-7-12/h10-14H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)/t11-,13-,14-/m0/s1
InChIKeyAVVAGMSMAIELCX-UBHSHLNASA-N
MW338.45 g/mol
LogP-0.01
Rot. Bonds7

About (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide (PubChem CID 11151918) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
PubChem CID11151918
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C17H30N4O3/c1-10(2)14(20-15(22)11(3)18)17(24)21-8-4-5-13(21)16(23)19-9-12-6-7-12/h10-14H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)/t11-,13-,14-/m0/s1
InChIKeyAVVAGMSMAIELCX-UBHSHLNASA-N
XLogP-0.01
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide (CID 11151918) is (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide is CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1.
What is the InChIKey of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is AVVAGMSMAIELCX-UBHSHLNASA-N. The full InChI is InChI=1S/C17H30N4O3/c1-10(2)14(20-15(22)11(3)18)17(24)21-8-4-5-13(21)16(23)19-9-12-6-7-12/h10-14H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)/t11-,13-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11151918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).