(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid

C11H21N3O3 — CID 67328584

IUPAC(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
SMILESN[C@@H](CCCNC(=O)CC1CCNC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c12-9(11(16)17)2-1-4-14-10(15)6-8-3-5-13-7-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyGPCLLEQLSHFOJJ-GKAPJAKFSA-N
MW243.31 g/mol
LogP-0.71
Rot. Bonds7

About (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid

(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid (PubChem CID 67328584) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
PubChem CID67328584
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
SMILESN[C@@H](CCCNC(=O)CC1CCNC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c12-9(11(16)17)2-1-4-14-10(15)6-8-3-5-13-7-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyGPCLLEQLSHFOJJ-GKAPJAKFSA-N
XLogP-0.71
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid
CID 67328029
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
N-(5-methoxypentyl)-2-pyrrolidin-3-ylacetamide
CID 104954739
(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
CID 67154306
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 80540037
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid (CID 67328584) is (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid is N[C@@H](CCCNC(=O)CC1CCNC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid?
The InChIKey is GPCLLEQLSHFOJJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-9(11(16)17)2-1-4-14-10(15)6-8-3-5-13-7-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid?
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 67328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).