(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid

C14H27N3O4 — CID 57289195

IUPAC(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)C[C@@H](CNCC(=O)O)NC[C@H]1CCCN1C(=O)O
InChIInChI=1S/C14H27N3O4/c1-10(2)6-11(7-15-9-13(18)19)16-8-12-4-3-5-17(12)14(20)21/h10-12,15-16H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyFJYPOJTXQKWCCY-NWDGAFQWSA-N
MW301.39 g/mol
LogP0.81
Rot. Bonds9

About (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid

(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 57289195) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
PubChem CID57289195
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)C[C@@H](CNCC(=O)O)NC[C@H]1CCCN1C(=O)O
InChIInChI=1S/C14H27N3O4/c1-10(2)6-11(7-15-9-13(18)19)16-8-12-4-3-5-17(12)14(20)21/h10-12,15-16H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyFJYPOJTXQKWCCY-NWDGAFQWSA-N
XLogP0.81
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid (CID 57289195) is (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid is CC(C)C[C@@H](CNCC(=O)O)NC[C@H]1CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FJYPOJTXQKWCCY-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-10(2)6-11(7-15-9-13(18)19)16-8-12-4-3-5-17(12)14(20)21/h10-12,15-16H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57289195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).