(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid

C13H25N3O3 — CID 107566478

IUPAC(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)CN1CCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-6-11(12(17)18)15-13(19)14-10(2)9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m0/s1
InChIKeyLLSPZWPZGFVFRR-DTIOYNMSSA-N
MW271.36 g/mol
LogP1.02
Rot. Bonds7

About (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid

(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 107566478) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
PubChem CID107566478
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)CN1CCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-6-11(12(17)18)15-13(19)14-10(2)9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m0/s1
InChIKeyLLSPZWPZGFVFRR-DTIOYNMSSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
(2S)-4-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475849
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid (CID 107566478) is (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)NC(C)CN1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is LLSPZWPZGFVFRR-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-6-11(12(17)18)15-13(19)14-10(2)9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid?
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).