(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C11H21N3O3 — CID 503253

IUPAC(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C11H21N3O3/c1-4-14(7(2)3)11(17)13-5-8(10(15)16)9(12)6-13/h7-9H,4-6,12H2,1-3H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyAKRSNNDSRNCUEU-DTWKUNHWSA-N
MW243.31 g/mol
LogP0.18
Rot. Bonds3

About (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 503253) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID503253
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C11H21N3O3/c1-4-14(7(2)3)11(17)13-5-8(10(15)16)9(12)6-13/h7-9H,4-6,12H2,1-3H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyAKRSNNDSRNCUEU-DTWKUNHWSA-N
XLogP0.18
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 503253) is (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCN(C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1)C(C)C.
What is the InChIKey of (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AKRSNNDSRNCUEU-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-14(7(2)3)11(17)13-5-8(10(15)16)9(12)6-13/h7-9H,4-6,12H2,1-3H3,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 503253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).