(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid

C12H22N2O5 — CID 82691121

IUPAC(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-2-10(11(16)17)13-12(18)14-5-3-9(4-6-14)19-8-7-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyZWMPFFOMZCKMPD-JTQLQIEISA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid

(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 82691121) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID82691121
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-2-10(11(16)17)13-12(18)14-5-3-9(4-6-14)19-8-7-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyZWMPFFOMZCKMPD-JTQLQIEISA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 54986104
(2S)-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61216337
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid (CID 82691121) is (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)N1CCC(OCCO)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is ZWMPFFOMZCKMPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-10(11(16)17)13-12(18)14-5-3-9(4-6-14)19-8-7-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 82691121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).