(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C12H25N3O4 — CID 18607786

IUPAC(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCCNC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O
InChIInChI=1S/C12H25N3O4/c1-5-14-7-9(8(13)6-10(16)17)15-11(18)19-12(2,3)4/h8-9,14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyXVALQBANIZPPOL-BDAKNGLRSA-N
MW275.35 g/mol
LogP0.29
Rot. Bonds7

About (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 18607786) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID18607786
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCCNC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O
InChIInChI=1S/C12H25N3O4/c1-5-14-7-9(8(13)6-10(16)17)15-11(18)19-12(2,3)4/h8-9,14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyXVALQBANIZPPOL-BDAKNGLRSA-N
XLogP0.29
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
(3S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 7018765
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
[(2S)-1-amino-4-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxosulfanium
CID 175364976
(3S,4S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88704695
3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 165482152
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
(3S)-4-[[3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethoxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 175887824

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 18607786) is (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CCNC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CC(=O)O.
What is the InChIKey of (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is XVALQBANIZPPOL-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-5-14-7-9(8(13)6-10(16)17)15-11(18)19-12(2,3)4/h8-9,14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 18607786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).