(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate

C10H17N3O4 — CID 7276370

IUPAC(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyGGLIDLCEPDHEJO-BQBZGAKWSA-N
MW243.26 g/mol
LogP-3.53
Rot. Bonds4

About (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate

(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 7276370) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID7276370
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyGGLIDLCEPDHEJO-BQBZGAKWSA-N
XLogP-3.53
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 57227647
N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide
CID 155261171
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 11902970
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
CID 90152449
CID 90152449
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(1S,2S)-2-sulfanylcyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 10663017
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18347853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate (CID 7276370) is (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is GGLIDLCEPDHEJO-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 243.26 g/mol, XLogP of -3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).