(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid

C7H14N2O5 — CID 131850253

IUPAC(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid
SMILESNCC(O)CN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O5/c8-2-4(10)3-9-5(7(13)14)1-6(11)12/h4-5,9-10H,1-3,8H2,(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyHUUWSCGFVMZHCC-AKGZTFGVSA-N
MW206.20 g/mol
LogP-2.18
Rot. Bonds7

About (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid

(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid (PubChem CID 131850253) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid
PubChem CID131850253
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid
SMILESNCC(O)CN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O5/c8-2-4(10)3-9-5(7(13)14)1-6(11)12/h4-5,9-10H,1-3,8H2,(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyHUUWSCGFVMZHCC-AKGZTFGVSA-N
XLogP-2.18
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid
CID 86177023
(2S)-2-[[(2S)-2-hydroxypropyl]amino]butanedioic acid
CID 57178792
2-[[2-(1,2-dicarboxyethylamino)-2-hydroxyethyl]amino]butanedioic acid
CID 20776652
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
(2S)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
CID 129078576
(2S)-2-(2-chloropropylamino)butanedioic acid
CID 87454603
2-[2-(1,2-dicarboxyethylamino)propylamino]butanedioic acid
CID 22590659
disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
3-amino-2-methylpropanoic acid;(2S)-2-(methylamino)butanedioic acid
CID 90177526
(2R)-2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]butanedioic acid
CID 2147192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid?
The IUPAC name of (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid (CID 131850253) is (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid?
The canonical SMILES for (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid is NCC(O)CN[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid?
The InChIKey is HUUWSCGFVMZHCC-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H14N2O5/c8-2-4(10)3-9-5(7(13)14)1-6(11)12/h4-5,9-10H,1-3,8H2,(H,11,12)(H,13,14)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid?
(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid has a molecular weight of 206.20 g/mol, XLogP of -2.18, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid is sourced from PubChem (CID 131850253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).