(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid

C12H16N2O3S — CID 78971232

IUPAC(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C12H16N2O3S/c1-8(11(15)16)13-12(17)14(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyHLIUZNMKYFVZKM-QMMMGPOBSA-N
MW268.34 g/mol
LogP1.90
Rot. Bonds5

About (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid

(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 78971232) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID78971232
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C12H16N2O3S/c1-8(11(15)16)13-12(17)14(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyHLIUZNMKYFVZKM-QMMMGPOBSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61475485
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812769
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea
CID 113227661
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid (CID 78971232) is (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid is C[C@H](NC(=O)N(Cc1ccsc1)C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is HLIUZNMKYFVZKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8(11(15)16)13-12(17)14(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).