(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane

C5H11NO4S — CID 159664208

IUPAC(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
SMILESCOC(=O)N[C@@H](C)C(=O)O.S
InChIInChI=1S/C5H9NO4.H2S/c1-3(4(7)8)6-5(9)10-2;/h3H,1-2H3,(H,6,9)(H,7,8);1H2/t3-;/m0./s1
InChIKeyMTERSGUBBHIYBE-DFWYDOINSA-N
MW181.21 g/mol
LogP-0.07
Rot. Bonds2

About (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane

(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane (PubChem CID 159664208) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane.

Molecular Properties

Compound Name(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
PubChem CID159664208
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
SMILESCOC(=O)N[C@@H](C)C(=O)O.S
InChIInChI=1S/C5H9NO4.H2S/c1-3(4(7)8)6-5(9)10-2;/h3H,1-2H3,(H,6,9)(H,7,8);1H2/t3-;/m0./s1
InChIKeyMTERSGUBBHIYBE-DFWYDOINSA-N
XLogP-0.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
2-(1-bromoethoxycarbonylamino)propanoic acid
CID 87845252
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-(2-chloroethoxycarbonylamino)propanoic acid
CID 78070578
2-amino-2-(methoxycarbonylamino)acetic acid
CID 129058062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane?
The IUPAC name of (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane (CID 159664208) is (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane.
What is the SMILES notation for (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane?
The canonical SMILES for (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane is COC(=O)N[C@@H](C)C(=O)O.S.
What is the InChIKey of (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane?
The InChIKey is MTERSGUBBHIYBE-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.H2S/c1-3(4(7)8)6-5(9)10-2;/h3H,1-2H3,(H,6,9)(H,7,8);1H2/t3-;/m0./s1.
What are the key properties of (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane?
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane has a molecular weight of 181.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxycarbonylamino)propanoic acid;sulfane is sourced from PubChem (CID 159664208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).